| SpectraBase Spectrum ID |
JInPEnXPJ7f |
| Name |
1,1-Dimethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.040734538 u |
| Formula |
C15H11ClN2O4 |
| InChI |
InChI=1S/C15H11ClN2O4/c1-21-12(19)15(13(20)22-2)11(14(15,7-17)8-18)9-4-3-5-10(16)6-9/h3-6,11H,1-2H3 |
| InChIKey |
BSNRJUFAQYOCFI-UHFFFAOYSA-N |
| Molecular Weight |
318.716 g/mol |
| SMILES |
C1=CC=C(C=C1Cl)C1C(C#N)(C#N)C1(C(OC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895994 |
